SCHEMBL14593440

SCHEMBL14593440

CN(C)CC(c1cccc(Cl)c1)N1CCNCC1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 15/20 0.57
▸ SLC6A2 P23975 14/20 0.57
▸ TACR1 P25103 5/20 0.52
▸ SLC6A3 Q01959 7/20 0.48
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14593323 0.83 CYP2D6 (0.57) SLC6A4SLC6A2TACR1SLC6A3CYP1A2
Hydrochloric Acid SCHEMBL23532325 0.82 CYP2D6 (0.55) SLC6A4SLC6A2TACR1SLC6A3CYP1A2
SCHEMBL2256683 0.80 SLC6A4 (0.56) SLC6A4SLC6A2TACR1SLC6A3
SCHEMBL15718470 0.79 SLC6A4 (0.60) SLC6A4SLC6A2TACR1SLC6A3CYP1A2
Hydrochloric Acid SCHEMBL3953529 0.78 SLC6A4 (0.54) SLC6A4SLC6A2TACR1SLC6A3CYP1A2
SCHEMBL7101455 0.76 CYP2D6 (0.64) SLC6A4SLC6A2TACR1SLC6A3CYP1A2
SCHEMBL14593456 0.75 MC4R (0.54) SLC6A4SLC6A2TACR1SLC6A3CYP1A2
SCHEMBL5444519 0.74 SLC6A4 (0.76) SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL14593425 0.74 CYP3A4 (0.48) SLC6A4SLC6A2
SCHEMBL4732656 0.74 SLC6A2 (0.58) SLC6A4SLC6A2TACR1SLC6A3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7169777-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-01-30 — — US disclosed
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